SCHEMBL3758381

SCHEMBL3758381

O=C(O)c1ccc(-c2cccc(F)c2F)nc1Oc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.42
EIF4E P06730 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCN9A Q15858 2/20 0.41
ALK Q9UM73 1/20 0.39
SORT1 Q99523 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
IL2 P60568 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3747340 0.91 KDM4E (0.44) MRGPRX4EIF4EKDM4EUSP2ALDH1A1
SCHEMBL3750445 0.87 EIF4E (0.43) EIF4EKDM4EALDH1A1HPGDSCN9A
SCHEMBL3754181 0.85 PLG (0.43) EIF4EKDM4E
SCHEMBL3755130 0.84 KMO (0.44) EIF4EKDM4EALDH1A1HPGD
SCHEMBL3747206 0.83 ALK (0.38) HPGDSCN9AALKIL2
SCHEMBL3757989 0.81 MRGPRX4 (0.41) MRGPRX4EIF4ESCN9A
SCHEMBL3752815 0.81 KMO (0.40) MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL3753505 0.80 ALDH1A1 (0.43) EIF4EKDM4EALDH1A1HPGD
SCHEMBL3762159 0.79 KDM4E (0.42) MRGPRX4EIF4EKDM4EHPGD
SCHEMBL3754215 0.79 KDM4E (0.40) EIF4EKDM4EALDH1A1HPGDSCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 MRGPRX4 4532/4885EIF4E 3817/4885KDM4E 1949/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.